N-(4-cyclohexylphenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-cyclohexylphenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-cyclohexylphenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | J039-0274 |
Compound Name: | N-(4-cyclohexylphenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
Molecular Weight: | 505.64 |
Molecular Formula: | C27 H31 N5 O3 S |
Smiles: | CC(c1nnc(n1C)SCC(Nc1ccc(cc1)C1CCCCC1)=O)N1C(COc2ccccc12)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.376 |
logD: | 4.376 |
logSw: | -4.3285 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.563 |
InChI Key: | AMTAIXLDKUXESK-SFHVURJKSA-N |